SCHEMBL5301635

SCHEMBL5301635

CC(=O)OOc1cc(C)cc(C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 2/20 0.41
LMNA P02545 3/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
HPGD P15428 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5301637 0.82 LMNA (0.50) KDM4EALDH1A1POLBHTTLMNA
SCHEMBL9936484 0.75 PTGS2 (0.30) PTGS1
SCHEMBL5762727 0.75 KDM4E (0.57) KDM4EALDH1A1POLBHTTLMNA
SCHEMBL28617865 0.74 RAB9A (0.46) KDM4EALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL5836310 0.74 KDM4E (0.49) KDM4EALDH1A1POLBHTTLMNA
SCHEMBL25038816 0.74 KDM4E (0.44) KDM4EALDH1A1POLBHTTLMNA
SCHEMBL10794344 0.73 ALDH1A1 (0.50) KDM4EALDH1A1POLBHTTLMNA
SCHEMBL11526714 0.72 KDM4E (0.45) KDM4EALDH1A1POLBHTTLMNA
SCHEMBL2758299 0.71 ALDH1A1 (0.45) KDM4EALDH1A1POLBHTTLMNA
SCHEMBL9028094 0.71 KDM4E (0.47) KDM4EALDH1A1POLBHTTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007004753-A1 ALKYLPHENOL DERIVATIVES HAVING PHYTOPATHOGENIC FUNGI ACTIVITIES DONGBU HITEK CO., LTD. (KR) 2007-01-11 WO claimed
WO-2007004753-A1 ALKYLPHENOL DERIVATIVES HAVING PHYTOPATHOGENIC FUNGI ACTIVITIES DONGBU HITEK CO., LTD. (KR) 2007-01-11 WO disclosed